Covpdb









Ligand
Ligand Name:   PCM-0102575
Ligand Type:   non-polymer
Ligand ID:   COVPDB1355 PubChem:   54592507
Synonym(s):  
  •   n-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
  • 1315366-89-2
  • albb-031274
  • mfcd19381844
  • zinc68583652
  • akos029766521
  • ne47988
  • ls-11298
  • en300-48799
show 8 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCC(CC1)NC(=O)c2ccccc2
Standard InChI:   InChI=1S/C14H17ClN2O2/c15-10-13(18)17-8-6-12(7-9-17)16-14(19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,19)
Molecular Formula:   C14H17ClN2O2 Mol. Weight:   280.09787 logP:   1.6462
HBD:   1 HBA:   2
#Rotatable Bonds:   3 TPSA:   49.41

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 5RFK T7D
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